1J0C

ACC deaminase mutated to catalytic residue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-01
Detector	MARRESEARCH
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	65.172, 268.265, 186.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.750
Rwork	0.224
R-free	0.29850
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1f2d
RMSD bond length	0.007
RMSD bond angle	1.290 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000 *	2.900
High resolution limit [Å]	2.750	2.750
Rmerge	0.073	0.353
Total number of observations	241451 *
Number of reflections	43138	6182 *
<I/σ(I)>	7.9	2.5
Completeness [%]	99.9	99.6
Redundancy	5.6	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5 *	293	ammmonium sulfate, pottasium phosphate, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	sodium phosphate	40 (mM)	pH6.5
3	1	reservoir	PLP	100000 (nM)